Compound Identification
SMILES
OC(=O)CCCCCCCCCCC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChIKey
InChIKey=IULSYWJLFZSUTE-UHFFFAOYSA-N
Formula
C28H30O3
Mass
414.545
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Pyrenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Pyrenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrenes
Alternative Parents
Phenanthrenes and derivatives Long-chain fatty acids Butyrophenones Naphthalenes Aryl alkyl ketones Keto fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Pyrene - Long-chain fatty acid - Phenanthrene - Butyrophenone - Naphthalene - Aryl alkyl ketone - Aryl ketone - Keto fatty acid - Fatty acyl - Fatty acid - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
External Descriptors
Not available